#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hi6 s LYS 2 N 0.00 0.91 0.10 5.55 1.02 -1.26 -3.40 119.74 122.66 2hi6 s LYS 2 Ca 0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2hi6 s LYS 2 Cb 0.00 -1.16 -0.05 0.00 -0.52 0.00 0.00 37.83 36.11 2hi6 s LYS 2 CO 0.00 -0.28 0.29 -0.06 -0.92 0.00 0.00 175.35 174.38 2hi6 s PHE 3 N 1.83 3.50 -0.21 3.18 0.08 -1.08 -4.97 117.98 120.30 2hi6 s PHE 3 Ca 0.04 0.40 -0.09 0.00 0.12 0.00 0.00 56.93 57.39 2hi6 s PHE 3 Cb -0.12 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 2hi6 s PHE 3 CO -0.06 0.51 0.12 0.00 -0.10 0.00 0.00 175.22 175.70 2hi6 s ALA 4 N -1.58 3.57 0.40 5.36 0.00 -1.26 -1.32 121.76 126.92 2hi6 s ALA 4 Ca 0.38 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.61 2hi6 s ALA 4 Cb -0.13 -2.16 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 2hi6 s ALA 4 CO 0.26 0.01 0.01 0.00 0.00 0.00 0.00 175.76 176.04 2hi6 s ARG 6 N -3.72 4.06 -0.11 0.00 6.06 0.69 -4.33 118.95 121.59 2hi6 s ARG 6 Ca 0.35 0.18 -0.29 0.00 -2.50 0.00 0.00 55.73 53.47 2hi6 s ARG 6 Cb 0.10 -3.64 -0.04 0.00 0.06 0.00 0.00 34.95 31.43 2hi6 s ARG 6 CO 0.18 -0.28 1.49 0.00 -2.50 0.00 0.00 175.30 174.19 2hi6 s ALA 7 N 2.09 3.62 -0.25 6.12 0.00 -1.26 -0.53 121.76 131.55 2hi6 s ALA 7 Ca 0.18 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.77 2hi6 s ALA 7 Cb -0.16 -3.70 -0.12 0.00 0.00 0.00 0.00 23.12 19.14 2hi6 s ALA 7 CO 0.09 -1.34 -0.30 -0.89 0.00 0.00 0.00 175.76 173.33 2hi6 n ILE 8 N 5.49 1.37 -3.17 0.00 2.08 -0.55 -4.96 119.36 119.62 2hi6 n ILE 8 Ca 0.16 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 63.08 2hi6 n ILE 8 Cb 0.44 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 2hi6 n ILE 8 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2hi6 n THR 9 N -3.89 0.00 -4.35 1.39 -1.04 -0.69 -4.95 114.28 100.75 2hi6 n THR 9 Ca -0.48 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.36 2hi6 n THR 9 Cb 0.87 -0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 68.88 2hi6 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2hi6 s ARG 10 N -0.38 1.48 0.00 -2.82 0.52 -1.26 -4.37 118.95 112.12 2hi6 s ARG 10 Ca 0.00 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.40 2hi6 s ARG 10 Cb 0.00 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.05 2hi6 s ARG 10 CO 0.00 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.46 2hi6 n GLY 11 N -0.53 3.00 3.11 -3.53 0.00 -1.26 -4.20 105.19 101.78 2hi6 n GLY 11 Ca -0.01 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 2hi6 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hi6 s ARG 12 N -3.63 2.51 -0.04 1.61 3.00 -1.26 -2.03 118.95 119.12 2hi6 s ARG 12 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 55.73 55.07 2hi6 s ARG 12 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 34.95 32.91 2hi6 s ARG 12 CO 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 175.30 175.22 2hi6 s ALA 13 N 0.82 0.77 -0.14 2.13 0.00 -0.97 -4.95 121.76 119.42 2hi6 s ALA 13 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2hi6 s ALA 13 Cb -0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2hi6 s ALA 13 CO 0.00 0.06 -0.14 -2.00 0.00 0.00 0.00 175.76 173.67 2hi6 s GLU 14 N 0.62 3.29 0.19 0.00 2.12 -1.26 -1.04 118.70 122.61 2hi6 s GLU 14 Ca -0.09 -0.72 -0.20 0.00 0.36 0.00 0.00 54.97 54.31 2hi6 s GLU 14 Cb -0.12 -2.62 0.07 0.00 0.26 0.00 0.00 34.13 31.72 2hi6 s GLU 14 CO 0.01 0.12 0.97 0.41 -0.54 0.00 0.00 175.26 176.22 2hi6 n GLY 15 N 3.79 0.66 3.73 -1.50 0.00 -1.24 -4.96 105.19 105.66 2hi6 n GLY 15 Ca -0.19 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2hi6 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 16 N -2.05 4.51 -0.22 1.61 8.01 -1.26 -2.79 118.70 126.51 2hi6 s GLU 16 Ca 0.21 1.76 -0.29 0.00 0.01 0.00 0.00 54.97 56.66 2hi6 s GLU 16 Cb -0.03 -3.30 0.01 0.00 -4.31 0.00 0.00 34.13 26.50 2hi6 s GLU 16 CO 0.06 -0.08 1.03 0.00 0.01 0.00 0.00 175.26 176.27 2hi6 s ALA 17 N 0.32 3.66 -0.31 5.21 0.00 0.11 -0.33 121.76 130.43 2hi6 s ALA 17 Ca 0.54 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 2hi6 s ALA 17 Cb -0.30 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.31 2hi6 s ALA 17 CO 0.33 -1.01 0.10 -1.17 0.00 0.00 0.00 175.76 174.01 2hi6 s LEU 18 N 3.08 4.01 -0.37 0.00 0.20 0.10 -1.52 118.68 124.20 2hi6 s LEU 18 Ca 0.44 -0.77 -0.11 0.00 0.69 0.00 0.00 54.13 54.38 2hi6 s LEU 18 Cb -0.15 -1.90 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 2hi6 s LEU 18 CO 0.07 -0.23 0.21 -0.69 -0.29 0.00 0.00 176.35 175.42 2hi6 s VAL 19 N 1.50 4.64 -0.04 1.68 1.01 -1.26 -1.11 120.40 126.82 2hi6 s VAL 19 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2hi6 s VAL 19 Cb -0.18 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2hi6 s VAL 19 CO 0.03 -0.19 -0.03 0.28 0.00 0.00 0.00 175.10 175.19 2hi6 s THR 20 N 1.57 0.41 0.00 3.92 -1.32 -1.15 -4.87 115.64 114.20 2hi6 s THR 20 Ca 0.03 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 2hi6 s THR 20 Cb -0.19 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2hi6 s THR 20 CO 0.07 0.19 0.00 0.29 -2.21 0.00 0.00 174.62 172.96 2hi6 n LYS 21 N 3.97 0.00 0.00 7.08 5.02 -1.26 -4.37 118.16 128.60 2hi6 n LYS 21 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 2hi6 n LYS 21 Cb 0.51 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 2hi6 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2hi6 n GLU 22 N -0.76 0.00 -3.41 1.97 4.71 -1.26 -4.52 120.64 117.38 2hi6 n GLU 22 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.98 2hi6 n GLU 22 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 2hi6 n GLU 22 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2hi6 s TYR 23 N 0.00 -0.46 -0.12 -0.32 5.04 -1.26 -4.83 117.35 115.41 2hi6 s TYR 23 Ca 0.00 -0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 54.50 2hi6 s TYR 23 Cb 0.00 -0.45 -0.02 0.00 0.35 0.00 0.00 41.96 41.84 2hi6 s TYR 23 CO 0.00 -0.89 -0.10 0.42 -1.34 0.00 0.00 175.55 173.64 2hi6 s ILE 24 N 2.36 3.36 -0.08 3.14 1.01 -1.26 -5.07 121.20 124.67 2hi6 s ILE 24 Ca 0.09 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 2hi6 s ILE 24 Cb -0.14 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2hi6 s ILE 24 CO -0.31 0.53 1.16 -0.94 0.00 0.00 0.00 174.94 175.39 2hi6 s SER 25 N 0.06 7.08 0.00 3.58 1.04 -1.26 -3.80 113.70 120.40 2hi6 s SER 25 Ca -0.03 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2hi6 s SER 25 Cb -0.14 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2hi6 s SER 25 CO 0.04 -0.57 1.97 0.49 0.98 0.00 0.00 173.24 176.14 2hi6 n PHE 26 N 5.31 0.00 0.07 5.02 3.72 0.11 -3.63 117.46 128.06 2hi6 n PHE 26 Ca 0.11 -0.99 -0.08 0.00 -0.05 0.00 0.00 57.45 56.45 2hi6 n PHE 26 Cb 0.47 -0.49 -0.10 0.00 -0.94 0.00 0.00 39.48 38.41 2hi6 n PHE 26 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2hi6 h LEU 27 N 2.96 0.05 0.00 4.37 7.12 -1.91 -3.45 115.31 124.45 2hi6 h LEU 27 Ca 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2hi6 h LEU 27 Cb 1.00 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 2hi6 h LEU 27 CO 0.00 1.01 0.00 0.61 -0.13 0.00 0.00 178.44 179.93 2hi6 n GLY 28 N 1.28 0.77 3.14 3.75 0.00 -1.24 -5.02 105.19 107.89 2hi6 n GLY 28 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2hi6 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hi6 n GLY 29 N 0.00 1.56 3.46 -0.02 0.00 -1.26 -4.93 105.19 104.01 2hi6 n GLY 29 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2hi6 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 30 N -0.21 2.91 0.20 -0.61 1.01 -1.26 0.34 121.20 123.58 2hi6 s ILE 30 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 2hi6 s ILE 30 Cb 0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 2hi6 s ILE 30 CO 0.00 0.49 1.15 -0.62 0.00 0.00 0.00 174.94 175.96 2hi6 s ASP 31 N -1.02 7.17 0.00 3.58 2.15 0.14 -4.78 116.67 123.90 2hi6 s ASP 31 Ca 0.13 2.20 0.30 0.00 0.43 0.00 0.00 52.55 55.61 2hi6 s ASP 31 Cb -0.11 -2.61 1.44 0.00 -0.30 0.00 0.00 42.92 41.34 2hi6 s ASP 31 CO 0.03 -0.29 1.98 2.29 -0.17 0.00 0.00 175.17 179.01 2hi6 n LYS 32 N 2.18 0.81 -0.04 4.34 2.85 -1.26 -2.15 118.16 124.88 2hi6 n LYS 32 Ca 0.03 -0.20 -0.09 0.00 -1.05 0.00 0.00 58.31 56.99 2hi6 n LYS 32 Cb 0.45 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.30 2hi6 n LYS 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2hi6 n GLU 33 N -0.92 0.23 -0.01 -1.58 1.02 -1.26 -4.80 120.64 113.32 2hi6 n GLU 33 Ca 0.17 0.10 0.10 0.00 -0.02 0.00 0.00 57.16 57.51 2hi6 n GLU 33 Cb 0.24 -0.88 -0.14 0.00 -0.02 0.00 0.00 31.44 30.63 2hi6 n GLU 33 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2hi6 n THR 34 N -3.60 0.00 -1.18 2.62 -1.04 -1.26 -4.94 114.28 104.88 2hi6 n THR 34 Ca -0.17 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.05 61.54 2hi6 n THR 34 Cb 0.53 0.43 -0.00 0.00 -1.82 0.00 0.00 70.33 69.46 2hi6 n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hi6 n GLY 35 N 1.39 0.44 3.74 3.41 0.00 -0.92 -4.84 105.19 108.42 2hi6 n GLY 35 Ca -0.01 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 2hi6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hi6 s ILE 36 N -2.04 5.03 -0.15 -0.61 -1.09 -1.26 -2.54 121.20 118.53 2hi6 s ILE 36 Ca 0.00 1.21 -0.29 0.00 -2.23 0.00 0.00 60.65 59.34 2hi6 s ILE 36 Cb 0.00 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 2hi6 s ILE 36 CO 0.00 0.35 1.88 0.68 -1.23 0.00 0.00 174.94 176.62 2hi6 s VAL 37 N 0.29 3.32 -0.93 2.92 -7.23 -1.24 0.25 120.40 117.78 2hi6 s VAL 37 Ca 0.31 0.36 0.27 0.00 -1.81 0.00 0.00 61.98 61.11 2hi6 s VAL 37 Cb -0.17 -3.33 0.24 0.00 0.56 0.00 0.00 36.38 33.68 2hi6 s VAL 37 CO 0.15 -0.14 1.84 0.29 -0.31 0.00 0.00 175.10 176.94 2hi6 n LYS 38 N 7.94 0.06 -3.64 4.82 4.76 0.15 -4.35 118.16 127.91 2hi6 n LYS 38 Ca 0.22 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.43 2hi6 n LYS 38 Cb 0.44 -1.58 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 2hi6 n LYS 38 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hi6 s GLU 39 N -3.03 3.65 0.12 1.97 2.56 -0.92 -5.00 118.70 118.05 2hi6 s GLU 39 Ca 0.12 -0.03 -0.30 0.00 0.00 0.00 0.00 54.97 54.76 2hi6 s GLU 39 Cb 0.16 -2.82 -0.06 0.00 2.00 0.00 0.00 34.13 33.41 2hi6 s GLU 39 CO 0.51 0.45 0.96 0.34 -0.56 0.00 0.00 175.26 176.96 2hi6 s ASP 40 N -2.41 7.51 0.03 -1.70 2.15 -1.26 -4.79 116.67 116.20 2hi6 s ASP 40 Ca 0.42 1.81 -0.00 0.00 0.43 0.00 0.00 52.55 55.21 2hi6 s ASP 40 Cb -0.12 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2hi6 s ASP 40 CO 0.24 -0.04 0.04 0.00 -0.17 0.00 0.00 175.17 175.23 2hi6 h GLU 42 N 0.00 -0.30 -1.70 0.00 4.22 -1.95 -3.27 114.58 111.58 2hi6 h GLU 42 Ca -0.02 0.02 -0.62 0.00 0.08 0.00 0.00 59.36 58.81 2hi6 h GLU 42 Cb 0.09 0.07 -0.39 0.00 0.50 0.00 0.00 28.75 29.02 2hi6 h GLU 42 CO 0.03 -0.17 -0.39 0.44 -2.18 0.00 0.00 179.01 176.74 2hi6 n ILE 43 N -5.21 2.75 -1.74 2.32 -0.00 -1.26 -5.05 119.36 111.17 2hi6 n ILE 43 Ca -0.09 -4.94 -0.42 0.00 -0.00 0.00 0.00 62.75 57.30 2hi6 n ILE 43 Cb 0.16 -1.29 -0.03 0.00 -0.00 0.00 0.00 39.64 38.48 2hi6 n ILE 43 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2hi6 s LYS 44 N -3.64 4.14 0.00 6.28 2.36 -1.24 -2.89 119.74 124.75 2hi6 s LYS 44 Ca 0.49 2.58 0.00 0.00 -2.55 0.00 0.00 55.97 56.49 2hi6 s LYS 44 Cb 0.39 -3.31 0.00 0.00 -1.05 0.00 0.00 37.83 33.85 2hi6 s LYS 44 CO -0.22 -0.78 0.00 0.41 1.55 0.00 0.00 175.35 176.31 2hi6 n GLY 45 N 4.08 1.27 3.83 5.54 0.00 -1.26 -4.96 105.19 113.69 2hi6 n GLY 45 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2hi6 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hi6 s GLU 46 N -0.01 4.14 -0.38 1.61 0.41 -1.14 -4.89 118.70 118.44 2hi6 s GLU 46 Ca 0.00 0.84 -0.19 0.00 -0.41 0.00 0.00 54.97 55.20 2hi6 s GLU 46 Cb 0.00 -2.54 0.01 0.00 -1.78 0.00 0.00 34.13 29.82 2hi6 s GLU 46 CO 0.00 0.20 0.56 -1.12 -0.49 0.00 0.00 175.26 174.41 2hi6 s SER 47 N -2.05 6.33 -0.03 -0.19 0.01 -1.26 -3.69 113.70 112.82 2hi6 s SER 47 Ca 0.52 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.67 2hi6 s SER 47 Cb -0.12 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 63.91 2hi6 s SER 47 CO 0.18 -0.58 0.64 1.33 0.41 0.00 0.00 173.24 175.22 2hi6 n VAL 48 N 5.56 0.30 -2.56 3.43 0.24 -1.05 -4.79 118.33 119.45 2hi6 n VAL 48 Ca -0.04 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 2hi6 n VAL 48 Cb 0.48 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 2hi6 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 49 N -1.19 2.73 0.00 2.33 0.00 -1.23 -1.69 121.76 122.70 2hi6 s ALA 49 Ca 0.06 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.94 2hi6 s ALA 49 Cb 0.05 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.70 2hi6 s ALA 49 CO 0.02 -3.54 0.00 0.41 0.00 0.00 0.00 175.76 172.65 2hi6 n GLY 50 N 6.56 0.96 3.52 0.00 0.00 -0.96 -4.95 105.19 110.32 2hi6 n GLY 50 Ca 0.27 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2hi6 n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hi6 n ARG 51 N -2.06 0.81 -4.10 1.61 1.85 -1.23 -4.65 116.66 108.89 2hi6 n ARG 51 Ca 0.00 -3.58 -0.35 0.00 -1.00 0.00 0.00 57.85 52.92 2hi6 n ARG 51 Cb 0.00 0.95 -0.09 0.00 -1.05 0.00 0.00 32.46 32.27 2hi6 n ARG 51 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2hi6 s ILE 52 N -2.77 4.77 -0.20 8.89 -1.09 0.56 -0.05 121.20 131.31 2hi6 s ILE 52 Ca 0.00 -0.06 -0.06 0.00 -2.23 0.00 0.00 60.65 58.31 2hi6 s ILE 52 Cb -0.00 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 2hi6 s ILE 52 CO 0.00 0.54 0.03 -0.22 -1.23 0.00 0.00 174.94 174.06 2hi6 s LEU 53 N -0.30 3.44 -0.33 2.97 2.96 0.07 0.02 118.68 127.51 2hi6 s LEU 53 Ca 0.08 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 2hi6 s LEU 53 Cb -0.12 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2hi6 s LEU 53 CO 0.02 0.09 0.13 -0.69 -1.32 0.00 0.00 176.35 174.57 2hi6 s VAL 54 N 0.87 4.10 0.01 1.68 1.01 -0.27 -0.90 120.40 126.90 2hi6 s VAL 54 Ca 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2hi6 s VAL 54 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2hi6 s VAL 54 CO 0.02 -0.09 -0.10 0.12 0.00 0.00 0.00 175.10 175.06 2hi6 s PHE 55 N 1.49 0.86 -0.02 5.22 5.36 -0.88 -2.95 117.98 127.06 2hi6 s PHE 55 Ca 0.01 -0.22 -0.22 0.00 -0.96 0.00 0.00 56.93 55.54 2hi6 s PHE 55 Cb -0.18 -0.54 -0.14 0.00 -0.34 0.00 0.00 43.02 41.81 2hi6 s PHE 55 CO 0.04 -0.01 0.96 -1.00 -1.46 0.00 0.00 175.22 173.75 2hi6 h PRO 56 N 5.59 -0.42 0.00 10.12 0.13 -1.79 -3.19 132.00 142.43 2hi6 h PRO 56 Ca -0.32 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2hi6 h PRO 56 Cb 1.18 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2hi6 h PRO 56 CO 0.48 -0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 2hi6 n GLY 57 N 0.12 1.16 3.50 1.56 0.00 -1.26 -1.73 105.19 108.54 2hi6 n GLY 57 Ca -0.09 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2hi6 n GLY 57 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hi6 s GLY 58 N 0.00 -0.53 -0.04 -0.02 0.00 -1.26 -4.49 107.32 100.98 2hi6 s GLY 58 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 2hi6 s GLY 58 CO 0.00 0.12 0.02 0.54 0.00 0.00 0.00 173.10 173.78 2hi6 s LYS 59 N -3.78 2.95 -0.36 2.90 1.02 -1.25 -4.66 119.74 116.56 2hi6 s LYS 59 Ca 0.03 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 55.61 2hi6 s LYS 59 Cb -0.02 -2.78 0.44 0.00 -0.52 0.00 0.00 37.83 34.95 2hi6 s LYS 59 CO -0.10 0.67 1.14 0.41 -0.92 0.00 0.00 175.35 176.56 2hi6 n GLY 60 N 1.72 5.94 3.49 -3.33 0.00 -1.26 0.06 105.19 111.81 2hi6 n GLY 60 Ca -0.16 -2.64 -0.44 0.00 0.00 0.00 0.00 46.02 42.79 2hi6 n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hi6 n SER 61 N -0.57 1.73 -2.95 1.61 7.64 -1.26 -1.43 113.62 118.38 2hi6 n SER 61 Ca 0.39 0.06 -0.21 0.00 1.01 0.00 0.00 58.87 60.12 2hi6 n SER 61 Cb 0.81 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.74 2hi6 n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2hi6 n THR 62 N 7.54 -1.38 0.17 0.44 -1.04 -1.26 -4.85 114.28 113.90 2hi6 n THR 62 Ca 0.46 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.52 2hi6 n THR 62 Cb 0.28 -2.69 0.19 0.00 -1.82 0.00 0.00 70.33 66.29 2hi6 n THR 62 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 2hi6 h VAL 63 N -0.89 0.78 0.00 12.58 3.04 -1.60 -3.47 116.25 126.69 2hi6 h VAL 63 Ca -0.46 -1.81 0.00 0.00 -1.01 0.00 0.00 66.70 63.42 2hi6 h VAL 63 Cb 1.32 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.77 2hi6 h VAL 63 CO 0.53 0.39 0.00 0.61 -1.01 0.00 0.00 177.57 178.09 2hi6 n GLY 64 N 0.79 0.76 2.65 3.17 0.00 -1.26 -4.50 105.19 106.80 2hi6 n GLY 64 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2hi6 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hi6 n SER 65 N 0.00 -5.07 0.20 1.61 7.64 -1.26 -4.83 113.62 111.91 2hi6 n SER 65 Ca 0.00 0.08 0.13 0.00 1.01 0.00 0.00 58.87 60.10 2hi6 n SER 65 Cb 0.00 -2.87 0.37 0.00 -1.01 0.00 0.00 64.21 60.71 2hi6 n SER 65 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 2hi6 h TYR 66 N 0.00 0.00 0.37 1.43 -0.00 -1.95 -3.34 116.97 113.49 2hi6 h TYR 66 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.66 2hi6 h TYR 66 Cb 0.77 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.48 2hi6 h TYR 66 CO 0.44 0.00 -0.36 0.28 -0.00 0.00 0.00 178.16 178.52 2hi6 h VAL 67 N 0.00 0.25 -0.92 -0.90 2.07 -1.89 0.21 116.25 115.07 2hi6 h VAL 67 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2hi6 h VAL 67 Cb 0.77 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2hi6 h VAL 67 CO 0.00 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.13 2hi6 h LEU 68 N -0.76 1.04 0.08 2.57 3.38 -1.89 -1.30 115.31 118.43 2hi6 h LEU 68 Ca -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2hi6 h LEU 68 Cb 0.68 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2hi6 h LEU 68 CO -0.06 0.74 -0.04 0.25 0.09 0.00 0.00 178.44 179.43 2hi6 h LEU 69 N 1.23 -0.09 -0.60 1.67 5.85 -1.64 -1.68 115.31 120.04 2hi6 h LEU 69 Ca 0.35 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2hi6 h LEU 69 Cb -0.10 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2hi6 h LEU 69 CO -0.09 0.24 0.30 -1.13 -0.34 0.00 0.00 178.44 177.43 2hi6 h ASN 70 N -0.44 0.42 -0.23 1.25 -1.24 -0.33 -0.17 115.58 114.84 2hi6 h ASN 70 Ca -0.01 0.04 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 2hi6 h ASN 70 Cb 0.38 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 2hi6 h ASN 70 CO 0.02 0.27 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.18 2hi6 h LEU 71 N 0.56 0.67 -0.41 0.34 3.38 -1.23 -2.66 115.31 115.97 2hi6 h LEU 71 Ca 0.28 -0.22 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2hi6 h LEU 71 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2hi6 h LEU 71 CO -0.20 0.86 -0.68 -0.09 0.09 0.00 0.00 178.44 178.42 2hi6 h ARG 72 N 0.60 0.00 -0.26 1.13 1.12 -0.43 -0.28 114.38 116.26 2hi6 h ARG 72 Ca 0.09 0.00 -0.11 0.00 -1.11 0.00 0.00 59.98 58.86 2hi6 h ARG 72 Cb 0.65 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 2hi6 h ARG 72 CO 0.05 0.68 -0.29 0.87 -3.11 0.00 0.00 179.97 178.17 2hi6 h LYS 73 N 0.00 0.53 0.00 0.20 1.57 -0.88 -2.70 116.57 115.29 2hi6 h LYS 73 Ca -0.01 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 2hi6 h LYS 73 Cb 1.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2hi6 h LYS 73 CO 0.09 0.77 -0.49 -0.97 -0.57 0.00 0.00 179.45 178.27 2hi6 h ASN 74 N 0.46 0.00 0.00 0.86 -1.24 -1.23 -3.47 115.58 110.95 2hi6 h ASN 74 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2hi6 h ASN 74 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2hi6 h ASN 74 CO 0.06 0.49 0.00 0.61 -1.29 0.00 0.00 177.43 177.30 2hi6 n GLY 75 N 1.06 0.86 0.38 1.57 0.00 -0.27 -4.96 105.19 103.84 2hi6 n GLY 75 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.65 2hi6 n GLY 75 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hi6 n VAL 76 N -2.37 1.25 -3.73 1.61 0.24 -0.32 -4.58 118.33 110.44 2hi6 n VAL 76 Ca 0.00 -1.24 -0.27 0.00 -2.04 0.00 0.00 64.34 60.79 2hi6 n VAL 76 Cb 0.04 0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 2hi6 n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hi6 s ALA 77 N -1.42 3.85 0.51 2.33 0.00 -1.09 -3.58 121.76 122.35 2hi6 s ALA 77 Ca 0.18 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 2hi6 s ALA 77 Cb 0.12 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 2hi6 s ALA 77 CO 0.08 0.40 1.27 -2.14 0.00 0.00 0.00 175.76 175.38 2hi6 s PRO 78 N -3.42 3.42 0.33 0.00 0.02 -0.68 -2.26 135.00 132.40 2hi6 s PRO 78 Ca 0.38 2.03 0.02 0.00 0.02 0.00 0.00 61.00 63.45 2hi6 s PRO 78 Cb -0.11 -2.33 0.57 0.00 0.02 0.00 0.00 34.50 32.66 2hi6 s PRO 78 CO 0.29 -0.91 1.92 0.87 -0.33 0.00 0.00 177.00 178.85 2hi6 h LYS 79 N 1.73 0.72 -2.70 5.54 1.57 -0.71 -3.46 116.57 119.26 2hi6 h LYS 79 Ca -0.50 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2hi6 h LYS 79 Cb 1.28 -0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.32 2hi6 h LYS 79 CO 0.59 0.60 0.27 0.00 -0.57 0.00 0.00 179.45 180.33 2hi6 s ALA 80 N -5.34 -1.67 -0.08 3.86 0.00 -1.25 -4.26 121.76 113.01 2hi6 s ALA 80 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2hi6 s ALA 80 Cb 0.16 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.95 2hi6 s ALA 80 CO 0.77 -0.69 -0.07 0.42 0.00 0.00 0.00 175.76 176.20 2hi6 s ILE 81 N -3.22 0.85 -0.30 0.00 1.01 -1.26 -0.75 121.20 117.54 2hi6 s ILE 81 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2hi6 s ILE 81 Cb -0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2hi6 s ILE 81 CO -0.09 0.32 0.15 -0.63 0.00 0.00 0.00 174.94 174.69 2hi6 s ILE 82 N 1.36 4.69 0.21 2.92 -1.09 -0.08 -4.02 121.20 125.20 2hi6 s ILE 82 Ca -0.03 -0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.19 2hi6 s ILE 82 Cb -0.14 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2hi6 s ILE 82 CO -0.03 0.12 -0.09 0.20 -1.23 0.00 0.00 174.94 173.91 2hi6 s ASN 83 N 1.64 4.23 -0.02 3.58 -0.87 -1.10 -2.07 114.94 120.34 2hi6 s ASN 83 Ca 0.05 -0.65 -0.09 0.00 -1.57 0.00 0.00 52.86 50.61 2hi6 s ASN 83 Cb -0.17 -0.70 -0.30 0.00 -0.02 0.00 0.00 41.25 40.06 2hi6 s ASN 83 CO 0.07 0.07 0.79 0.50 -2.57 0.00 0.00 177.10 175.96 2hi6 h LYS 84 N 2.60 0.36 -4.49 -0.60 3.64 -1.32 -0.37 116.57 116.39 2hi6 h LYS 84 Ca -0.45 -0.62 -0.63 0.00 -1.27 0.00 0.00 60.65 57.67 2hi6 h LYS 84 Cb 1.22 0.23 -0.38 0.00 -0.41 0.00 0.00 32.23 32.89 2hi6 h LYS 84 CO 0.56 1.26 -0.78 0.15 -2.27 0.00 0.00 179.45 178.37 2hi6 s LYS 85 N -2.60 1.72 -0.49 1.90 1.02 -0.91 -4.32 119.74 116.06 2hi6 s LYS 85 Ca -0.12 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 2hi6 s LYS 85 Cb 0.06 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 2hi6 s LYS 85 CO 0.87 -0.65 1.24 0.95 -0.92 0.00 0.00 175.35 176.83 2hi6 s THR 86 N 1.27 4.06 0.19 2.17 -4.23 -1.26 -4.63 115.64 113.21 2hi6 s THR 86 Ca -0.04 1.04 -0.30 0.00 -1.18 0.00 0.00 61.69 61.22 2hi6 s THR 86 Cb -0.19 -4.53 -0.08 0.00 1.34 0.00 0.00 72.50 69.04 2hi6 s THR 86 CO -0.07 -1.04 1.20 -0.70 -0.54 0.00 0.00 174.62 173.47 2hi6 s GLU 87 N 4.76 4.50 0.23 3.99 -6.30 -1.26 -4.93 118.70 119.68 2hi6 s GLU 87 Ca 0.50 1.88 -0.06 0.00 -2.50 0.00 0.00 54.97 54.79 2hi6 s GLU 87 Cb -0.09 -3.23 0.33 0.00 0.00 0.00 0.00 34.13 31.13 2hi6 s GLU 87 CO 0.30 -0.08 1.81 1.15 0.02 0.00 0.00 175.26 178.47 2hi6 h THR 88 N 3.71 0.95 -0.11 -1.70 2.02 -1.95 -0.97 112.91 114.85 2hi6 h THR 88 Ca -0.45 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 2hi6 h THR 88 Cb 1.21 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2hi6 h THR 88 CO 0.74 0.14 -0.42 0.40 0.37 0.00 0.00 175.52 176.75 2hi6 h ILE 89 N 0.77 1.31 -0.55 3.11 2.04 -1.91 -2.52 117.51 119.76 2hi6 h ILE 89 Ca 0.35 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.54 2hi6 h ILE 89 Cb 0.27 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2hi6 h ILE 89 CO -0.21 0.47 -0.11 0.40 0.00 0.00 0.00 178.15 178.69 2hi6 h ILE 90 N 0.21 1.27 -0.65 -0.67 1.08 -1.61 -2.74 117.51 114.40 2hi6 h ILE 90 Ca 0.02 -1.28 0.02 0.00 -0.39 0.00 0.00 64.86 63.23 2hi6 h ILE 90 Cb 0.84 0.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 2hi6 h ILE 90 CO 0.07 0.45 0.42 0.00 -0.69 0.00 0.00 178.15 178.39 2hi6 h ALA 91 N 0.93 0.84 -0.49 1.87 0.00 -0.82 0.14 119.26 121.73 2hi6 h ALA 91 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2hi6 h ALA 91 Cb 0.69 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2hi6 h ALA 91 CO 0.05 0.20 0.32 0.28 0.00 0.00 0.00 179.25 180.10 2hi6 h VAL 92 N 0.83 1.11 -0.33 0.00 2.07 -1.36 -1.62 116.25 116.95 2hi6 h VAL 92 Ca 0.25 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 2hi6 h VAL 92 Cb -0.03 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2hi6 h VAL 92 CO -0.08 0.12 -0.12 1.23 0.02 0.00 0.00 177.57 178.74 2hi6 h GLY 93 N 0.66 0.72 1.21 2.17 0.00 -1.10 -3.02 103.07 103.71 2hi6 h GLY 93 Ca 0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2hi6 h GLY 93 CO -0.05 0.57 0.43 0.00 0.00 0.00 0.00 176.54 177.49 2hi6 h ALA 94 N 0.79 1.33 -0.17 3.60 0.00 -0.59 -2.00 119.26 122.22 2hi6 h ALA 94 Ca 0.08 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2hi6 h ALA 94 Cb 0.64 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2hi6 h ALA 94 CO 0.04 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 2hi6 h ALA 95 N 1.43 1.49 0.09 0.00 0.00 -1.21 0.22 119.26 121.28 2hi6 h ALA 95 Ca 0.27 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 2hi6 h ALA 95 Cb -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.72 2hi6 h ALA 95 CO -0.05 0.36 -1.15 0.52 0.00 0.00 0.00 179.25 178.93 2hi6 h MET 96 N 0.26 0.62 -0.01 0.00 2.86 -1.26 -3.25 114.93 114.16 2hi6 h MET 96 Ca 0.05 -0.79 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 2hi6 h MET 96 Cb 0.37 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2hi6 h MET 96 CO 0.02 1.35 -0.02 0.00 1.06 0.00 0.00 176.91 179.32 2hi6 n ALA 97 N -2.67 2.66 -3.35 6.32 0.00 -0.95 -4.91 120.51 117.61 2hi6 n ALA 97 Ca -0.13 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 2hi6 n ALA 97 Cb 0.94 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 19.13 2hi6 n ALA 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hi6 n GLU 98 N -0.53 -4.87 -3.64 0.00 2.13 -0.82 -4.97 120.64 107.94 2hi6 n GLU 98 Ca 0.20 0.85 -0.38 0.00 0.66 0.00 0.00 57.16 58.49 2hi6 n GLU 98 Cb 0.24 -5.84 -0.08 0.00 0.27 0.00 0.00 31.44 26.04 2hi6 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hi6 s ILE 99 N -3.37 4.15 -0.83 6.31 -1.09 0.71 -4.92 121.20 122.16 2hi6 s ILE 99 Ca 0.18 -3.08 -0.27 0.00 -2.23 0.00 0.00 60.65 55.25 2hi6 s ILE 99 Cb -0.02 -3.65 -0.18 0.00 -1.58 0.00 0.00 42.46 37.03 2hi6 s ILE 99 CO 0.73 -0.95 2.54 -0.81 -1.23 0.00 0.00 174.94 175.23 2hi6 n PRO 100 N 3.31 0.36 -3.38 2.79 -0.04 -1.26 -4.55 135.00 132.24 2hi6 n PRO 100 Ca 0.12 -0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 63.15 2hi6 n PRO 100 Cb 0.39 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 2hi6 n PRO 100 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2hi6 s LEU 101 N 9.53 4.29 0.04 1.53 2.96 -1.26 -4.10 118.68 131.66 2hi6 s LEU 101 Ca 1.21 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 55.91 2hi6 s LEU 101 Cb -0.81 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 2hi6 s LEU 101 CO 0.40 0.05 -0.08 0.68 -1.32 0.00 0.00 176.35 176.08 2hi6 s VAL 102 N 0.43 0.59 -0.26 1.68 -7.23 -1.26 -1.48 120.40 112.87 2hi6 s VAL 102 Ca 0.24 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 2hi6 s VAL 102 Cb -0.15 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 2hi6 s VAL 102 CO 0.09 -0.30 0.17 -0.70 -0.31 0.00 0.00 175.10 174.04 2hi6 s GLU 103 N -1.42 3.96 -0.26 4.82 2.12 0.30 -2.71 118.70 125.51 2hi6 s GLU 103 Ca -0.08 -0.32 -0.06 0.00 0.36 0.00 0.00 54.97 54.87 2hi6 s GLU 103 Cb -0.09 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.71 2hi6 s GLU 103 CO 0.01 -0.10 0.04 0.14 -0.54 0.00 0.00 175.26 174.80 2hi6 s VAL 104 N 1.51 3.87 -2.37 3.70 -7.23 -0.15 -0.22 120.40 119.50 2hi6 s VAL 104 Ca 0.07 -0.51 0.22 0.00 -1.81 0.00 0.00 61.98 59.95 2hi6 s VAL 104 Cb -0.15 -2.88 0.43 0.00 0.56 0.00 0.00 36.38 34.34 2hi6 s VAL 104 CO 0.08 0.24 1.48 0.54 -0.31 0.00 0.00 175.10 177.14 2hi6 n ARG 105 N 4.86 2.02 -3.43 4.82 5.12 -1.26 -4.23 116.66 124.56 2hi6 n ARG 105 Ca -0.16 -1.53 -0.38 0.00 -1.93 0.00 0.00 57.85 53.85 2hi6 n ARG 105 Cb 0.50 -1.44 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 2hi6 n ARG 105 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2hi6 s ASP 106 N -1.55 6.32 0.24 0.55 2.15 -1.26 -4.96 116.67 118.16 2hi6 s ASP 106 Ca 0.34 0.37 0.05 0.00 0.43 0.00 0.00 52.55 53.74 2hi6 s ASP 106 Cb 0.19 -2.21 0.25 0.00 -0.30 0.00 0.00 42.92 40.86 2hi6 s ASP 106 CO 0.28 -0.10 1.56 -0.08 -0.17 0.00 0.00 175.17 176.66 2hi6 h GLU 107 N 7.69 0.21 -0.01 4.34 4.57 -2.03 -3.16 114.58 126.20 2hi6 h GLU 107 Ca -0.35 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.62 2hi6 h GLU 107 Cb 1.16 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 2hi6 h GLU 107 CO 0.68 0.76 -0.30 0.87 -1.18 0.00 0.00 179.01 179.85 2hi6 h LYS 108 N 0.16 0.01 -0.21 1.92 6.56 -1.99 -2.81 116.57 120.21 2hi6 h LYS 108 Ca -0.01 -0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2hi6 h LYS 108 Cb 1.12 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.73 2hi6 h LYS 108 CO 0.09 0.31 -0.10 0.35 -2.06 0.00 0.00 179.45 178.04 2hi6 h PHE 109 N 0.01 -0.23 0.00 -1.35 3.57 -1.97 0.13 116.94 117.09 2hi6 h PHE 109 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2hi6 h PHE 109 Cb 0.53 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2hi6 h PHE 109 CO 0.00 -0.15 -0.12 0.74 -2.23 0.00 0.00 178.31 176.55 2hi6 h PHE 110 N -0.07 0.00 0.08 0.41 0.04 -1.65 -0.55 116.94 115.19 2hi6 h PHE 110 Ca 0.11 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.59 2hi6 h PHE 110 Cb 0.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2hi6 h PHE 110 CO -0.26 0.12 -1.54 0.93 -0.60 0.00 0.00 178.31 176.96 2hi6 h GLU 111 N 0.00 0.16 0.09 1.51 4.39 -1.35 -3.36 114.58 116.02 2hi6 h GLU 111 Ca -0.00 -0.27 -0.26 0.00 0.34 0.00 0.00 59.36 59.16 2hi6 h GLU 111 Cb 0.54 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2hi6 h GLU 111 CO 0.02 0.97 -1.23 0.00 -1.16 0.00 0.00 179.01 177.60 2hi6 h ALA 112 N 0.64 0.21 -2.26 3.43 0.00 -0.36 -3.44 119.26 117.48 2hi6 h ALA 112 Ca -0.24 -0.94 -0.56 0.00 0.00 0.00 0.00 54.91 53.17 2hi6 h ALA 112 Cb 1.98 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 2hi6 h ALA 112 CO 0.13 1.09 0.61 0.54 0.00 0.00 0.00 179.25 181.62 2hi6 s VAL 113 N -2.66 4.66 0.18 0.00 0.11 -0.25 -5.03 120.40 117.40 2hi6 s VAL 113 Ca -0.03 1.94 0.10 0.00 -2.93 0.00 0.00 61.98 61.06 2hi6 s VAL 113 Cb 0.08 -4.25 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 2hi6 s VAL 113 CO 0.86 -0.01 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.89 2hi6 s LYS 114 N 2.12 1.68 -0.76 1.54 1.02 -1.26 -4.88 119.74 119.20 2hi6 s LYS 114 Ca 0.50 -1.42 -0.25 0.00 0.02 0.00 0.00 55.97 54.82 2hi6 s LYS 114 Cb -0.19 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.11 2hi6 s LYS 114 CO 0.18 0.42 1.99 0.99 -0.92 0.00 0.00 175.35 178.01 2hi6 s THR 115 N -1.59 3.34 0.00 2.17 2.01 -1.25 -1.65 115.64 118.66 2hi6 s THR 115 Ca 0.21 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2hi6 s THR 115 Cb -0.08 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2hi6 s THR 115 CO 0.11 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 173.87 2hi6 n GLY 116 N 6.37 0.44 3.87 4.40 0.00 -0.57 -4.97 105.19 114.73 2hi6 n GLY 116 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 2hi6 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hi6 s ASP 117 N 0.00 6.28 -0.34 1.61 1.01 -0.66 -4.77 116.67 119.80 2hi6 s ASP 117 Ca 0.00 1.38 -0.11 0.00 0.71 0.00 0.00 52.55 54.53 2hi6 s ASP 117 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2hi6 s ASP 117 CO 0.00 -0.81 0.19 -0.60 0.21 0.00 0.00 175.17 174.16 2hi6 s ARG 118 N -5.01 3.21 -0.17 8.23 3.52 -0.82 0.06 118.95 127.96 2hi6 s ARG 118 Ca 0.55 -0.82 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2hi6 s ARG 118 Cb -0.11 -3.66 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2hi6 s ARG 118 CO 0.51 -0.51 -0.20 0.54 -0.81 0.00 0.00 175.30 174.82 2hi6 s VAL 119 N 1.62 2.07 -0.33 7.11 0.11 -1.12 0.47 120.40 130.32 2hi6 s VAL 119 Ca 0.04 -0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 58.01 2hi6 s VAL 119 Cb -0.18 -1.86 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 2hi6 s VAL 119 CO 0.07 0.54 0.29 0.54 -3.33 0.00 0.00 175.10 173.22 2hi6 s VAL 120 N 1.22 5.23 -0.01 2.04 0.11 -0.06 -3.65 120.40 125.29 2hi6 s VAL 120 Ca 0.03 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.73 2hi6 s VAL 120 Cb -0.13 -3.75 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 2hi6 s VAL 120 CO -0.11 -0.02 1.04 0.54 -3.33 0.00 0.00 175.10 173.21 2hi6 s VAL 121 N 1.86 4.65 -0.50 2.04 0.11 -0.21 -1.85 120.40 126.51 2hi6 s VAL 121 Ca 0.09 1.91 -0.01 0.00 -2.93 0.00 0.00 61.98 61.04 2hi6 s VAL 121 Cb -0.17 -4.22 0.13 0.00 -1.53 0.00 0.00 36.38 30.59 2hi6 s VAL 121 CO 0.11 0.11 0.28 0.21 -3.33 0.00 0.00 175.10 172.48 2hi6 s ASN 122 N 1.07 5.01 0.01 3.54 3.84 0.62 -2.30 114.94 126.72 2hi6 s ASN 122 Ca 0.53 -2.55 0.26 0.00 0.21 0.00 0.00 52.86 51.31 2hi6 s ASN 122 Cb -0.22 -1.78 0.66 0.00 -0.55 0.00 0.00 41.25 39.36 2hi6 s ASN 122 CO 0.26 -0.40 1.53 0.00 -2.79 0.00 0.00 177.10 175.70 2hi6 n ALA 123 N 3.85 3.23 0.03 1.71 0.00 -0.86 -0.36 120.51 128.10 2hi6 n ALA 123 Ca 0.04 -0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 2hi6 n ALA 123 Cb 0.38 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 2hi6 n ALA 123 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2hi6 h ASP 124 N 0.00 0.90 0.00 0.00 5.19 -1.76 -3.33 116.42 117.42 2hi6 h ASP 124 Ca 0.00 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 55.69 2hi6 h ASP 124 Cb 0.52 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2hi6 h ASP 124 CO 0.00 1.50 -1.33 -0.62 -3.12 0.00 0.00 179.24 175.67 2hi6 n GLU 125 N -3.89 0.71 -1.61 3.56 1.02 -1.24 -5.03 120.64 114.16 2hi6 n GLU 125 Ca -0.10 -0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2hi6 n GLU 125 Cb 0.84 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2hi6 n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hi6 n GLY 126 N 1.43 0.14 3.34 0.62 0.00 -0.35 -4.90 105.19 105.45 2hi6 n GLY 126 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2hi6 n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hi6 s TYR 127 N -3.01 -0.42 -0.31 1.61 2.02 0.51 -2.70 117.35 115.05 2hi6 s TYR 127 Ca 0.01 0.89 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 2hi6 s TYR 127 Cb -0.00 0.18 0.07 0.00 -0.40 0.00 0.00 41.96 41.81 2hi6 s TYR 127 CO 0.05 -0.34 0.01 0.14 -1.57 0.00 0.00 175.55 173.84 2hi6 s VAL 128 N -0.47 2.71 -0.46 0.71 -7.23 -0.44 -0.28 120.40 114.94 2hi6 s VAL 128 Ca -0.06 -1.73 -0.20 0.00 -1.81 0.00 0.00 61.98 58.18 2hi6 s VAL 128 Cb -0.03 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.25 2hi6 s VAL 128 CO 0.03 -0.27 0.62 -0.70 -0.31 0.00 0.00 175.10 174.47 2hi6 s GLU 129 N 1.13 3.20 -0.18 4.82 2.12 -0.77 -2.65 118.70 126.38 2hi6 s GLU 129 Ca -0.01 -0.59 -0.13 0.00 0.36 0.00 0.00 54.97 54.60 2hi6 s GLU 129 Cb -0.20 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.14 2hi6 s GLU 129 CO -0.04 -1.07 0.24 -1.17 -0.54 0.00 0.00 175.26 172.68 2hi6 s LEU 130 N 2.70 4.22 -0.15 2.70 2.96 -1.22 -0.88 118.68 129.02 2hi6 s LEU 130 Ca 0.19 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2hi6 s LEU 130 Cb -0.16 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.27 2hi6 s LEU 130 CO 0.16 0.12 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.54 2hi6 s ILE 131 N 0.49 1.54 -2.00 6.68 -1.09 0.18 -4.40 121.20 122.59 2hi6 s ILE 131 Ca 0.14 -0.61 0.14 0.00 -2.23 0.00 0.00 60.65 58.09 2hi6 s ILE 131 Cb -0.12 -1.45 0.41 0.00 -1.58 0.00 0.00 42.46 39.72 2hi6 s ILE 131 CO 0.02 0.45 1.28 -0.62 -1.23 0.00 0.00 174.94 174.85